کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1595191 1515688 2009 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
On the structural properties of B–C–N nanotubes
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
On the structural properties of B–C–N nanotubes
چکیده انگلیسی

We apply a first-principles method, based on the density functional theory, to calculate the structural stability of B–C–N armchair nanotubes, comparing such results with the ones obtained for zigzag configuration. Analysis of the corresponding strain energies confirm that the stability of BC2N nanotubes is independent of their chirality and demonstrate that such nanostructures have lower strain than BCN and carbon nanotubes. The results show that the formation energy decreases with the tube diameter and indicate that the most stable nanotubes have the maximum number of B–N and C–C bonds. Therefore, from the experimental point of view, larger diameter BC2N model-I nanotubes should be more probable to be synthesized.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Solid State Communications - Volume 149, Issues 5–6, February 2009, Pages 222–226
نویسندگان
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